Vitas-M small molecule compound
ethyl 2-({[(3-bromo-4-methoxyphenyl)carbonyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK163253
SMILES CCOC(=O)c1c(NC(=S)NC(=O)c2ccc(c(c2)Br)OC)sc2c1CCCC2
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C20H21BrN2O4S2 MW 497.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21BrN2O4S2/c1-3-27-19(25)16-12-6-4-5-7-15(12)29-18(16)23-20(28)22-17(24)11-8-9-14(26-2)13(21)10-11/h8-10H,3-7H2,1-2H3,(H2,22,23,24,28)InChIKey
HFZGGSGHPHVNLU-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC(=O)C3=CC(=C(C=C3)OC)Br
ethyl2((((3bromo4methoxyphenyl)carbonyl)carbamothioyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2((3bromo4methoxybenzoyl)carbamothioylamino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC20H21BrN2O4S2c132719(25)1612645715(12)2918(16)2320(28)2217(24)118914(262)13(21)1011h810H37H212H3(H222232428)
MFCD02625150
ZINC000002978984
ZINC02978984
ZINC2978984
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